Information card for entry 4343536

Structure parameters

• Formula: C78 H65 Cl6 F9 O15 P4 S3 Si U
• Calculated formula: C78 H65 Cl6 F9 O15 P4 S3 Si U
• SMILES: ClCCl.C(Cl)Cl.[U]123(OS(=[O]2)(=O)C(F)(F)F)([O]=P(c2ccccc2)(c2ccccc2)CP(=[O]1)(c1ccccc1)c1ccccc1)([O]=P(c1ccccc1)(CP(c1ccccc1)(c1ccccc1)=[O]3)c1ccccc1)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)OS(=O)(=O)C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.ClCCl.O(CC)CC
• Title of publication: Oxo Ligand Substitution in a Cationic Uranyl Complex: Synergistic Interaction of an Electrophile and a Reductant.
• Authors of publication: Pedrick, Elizabeth A.; Wu, Guang; Hayton, Trevor W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 14
• Pages of publication: 7038 - 7044
• a: 17.81 ± 0.003 Å
• b: 18.573 ± 0.003 Å
• c: 25.953 ± 0.004 Å
• α: 90°
• β: 94.423 ± 0.004°
• γ: 90°
• Cell volume: 8559 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1273
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1806
• Weighted residual factors for all reflections included in the refinement: 0.2139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No